NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 K 4.1838 8.3144 120.1348 56.0869 32.8245 172.7342 23 D 4.6359 7.5874 119.2334 50.2801 43.1236 174.9305 24 S 4.1571 9.5362 124.8234 62.0218 63.6585 176.0037 25 E 4.0362 8.3930 121.3907 58.8326 29.0778 179.3639 26 I 3.7910 8.2244 120.4373 64.3800 37.3825 178.8189 27 V 3.6163 7.6932 112.6497 63.9049 31.3717 178.5171 28 K 3.9221 8.0511 119.4887 59.3951 32.1669 178.7408 29 A 3.9994 7.7621 120.9071 55.2740 18.3668 179.6750 30 L 4.0660 8.2685 117.6673 57.4397 41.6052 180.1251 31 G 3.5203 8.0590 106.0189 47.9563 0.0000 175.4975 32 D 4.4309 8.1456 121.8947 57.0801 40.7715 179.0854 33 L 4.0144 7.8829 119.2686 57.7171 41.6116 179.0250 34 D 4.3316 8.0656 117.9309 57.4018 41.0934 178.1736 35 E 3.9950 8.3108 119.1284 59.1707 29.4151 179.0551 36 L 3.9639 8.0625 120.3483 58.4400 42.3181 178.9125 37 N 4.4107 8.3916 116.3612 56.2948 38.3801 177.7318 38 S 4.1289 8.1580 116.8216 61.5394 62.9114 176.8189 39 V 3.6068 8.1033 121.2108 65.9600 31.2064 178.0157 40 L 4.1144 8.2684 119.0174 57.7677 41.3993 179.7912 41 G 3.5494 7.9828 105.5756 47.6258 0.0000 175.9739 42 V 3.4324 7.6236 120.6366 65.6271 31.4057 178.2816 43 V 3.5581 7.8639 118.0453 66.1419 30.8714 177.8702 44 S 4.1370 8.2742 112.9421 61.6045 61.9303 176.3503 45 S 4.1488 8.0031 117.0433 61.4846 62.6346 176.2232 46 L 4.3832 7.7109 120.5044 56.0729 43.0724 176.7710 47 Y 4.6659 8.3195 119.9179 54.3481 38.8235 173.4599 48 P 4.6575 0.0000 0.0000 64.4086 31.7343 178.8654 49 E 4.0598 7.5502 116.8178 57.9206 29.6714 177.0650 50 L 4.7995 8.0573 118.2638 54.3116 43.0919 178.2367 51 S 4.2359 8.0314 119.1255 60.9656 62.5302 176.1912 52 E 3.9270 8.1428 121.2889 59.3922 29.5789 178.9520 53 V 3.6756 7.7694 117.6716 66.0615 31.6276 177.8735 54 I 3.7698 8.3342 119.9528 64.5592 36.9759 178.3988 55 Q 4.2701 8.6780 120.7387 58.4079 28.5036 179.1350 56 K 4.1175 7.9290 119.6542 59.4348 32.0343 179.4143 57 L 4.2277 7.8716 118.8684 57.9564 41.1691 179.5749 58 Q 4.8563 8.3558 119.7144 58.5708 28.6083 178.5107 59 N 4.4489 8.7540 117.9544 56.5511 38.5327 177.1983 60 D 4.5432 8.3995 120.2413 57.4773 40.8034 178.9566 61 I 3.6623 8.0026 120.4961 64.2566 37.0516 178.2805 62 F 4.0211 8.5196 121.7172 61.1788 39.1132 177.4988 63 S 4.0979 8.3668 114.9103 61.5411 62.6637 176.4876 64 I 3.0077 7.4172 122.7146 64.2220 36.5779 178.1409 65 S 3.8652 7.7156 112.5759 61.4297 62.4493 175.7621 66 S 3.9055 7.8795 115.8402 61.4450 62.0299 175.9507 67 E 4.0955 8.1580 122.6485 59.0809 29.0393 179.5491 68 I 3.8195 7.5943 118.0679 63.7707 37.1040 177.2746 69 A 4.4803 7.4212 119.6547 52.1135 18.6345 177.6716 70 G 3.9858 8.5416 108.6806 46.0849 0.0000 175.3129 71 F 4.3804 8.2703 120.2434 55.5994 37.3975 174.4712 72 D 4.4601 7.7858 123.3524 54.5069 42.0879 176.5472 *74 N 4.4925 8.1965 114.2741 53.4893 39.1830 175.3871 75 F 4.3134 8.8839 120.4516 57.5759 40.1854 174.8787 76 S 4.6428 7.8564 122.8318 57.0533 64.8447 174.8199 77 D 4.5815 8.4296 120.7308 56.3094 40.4746 178.3085 78 E 3.9859 7.7319 119.4938 58.8293 29.4273 178.7267 79 K 3.9083 8.1288 119.3633 59.2555 32.0263 179.3581 80 V 3.7351 7.7277 117.9327 66.1492 31.6306 177.8618 81 K 4.4454 7.4916 119.3231 58.9315 31.9796 179.3938 82 G 3.7207 8.2301 105.8519 47.8571 0.0000 175.9028 83 I 3.8155 7.5960 121.8603 64.2791 37.0635 178.2951 84 E 4.0391 8.3241 119.4528 59.3280 29.2043 179.1684 85 E 3.9407 8.3266 119.3813 59.2222 29.7245 178.8596 86 L 4.0393 7.7783 118.5896 57.8429 41.8152 179.3621 87 I 3.8033 8.4414 120.0566 64.8248 36.8504 178.5262 88 T 3.8681 7.8184 114.8988 66.9301 68.6211 176.2414 89 N 4.4166 8.2530 118.2756 56.5267 38.5844 177.2195 90 Y 4.2295 8.1797 118.2606 61.0281 37.8999 178.3616 91 S 4.3052 8.2445 115.6482 61.0257 62.6568 176.5651 92 K 3.9761 7.5317 119.1448 58.9056 31.7705 178.2594 93 E 4.2205 8.0124 117.4026 56.6910 30.0233 176.4464 94 L 4.5725 7.2739 118.8702 53.0592 43.2617 176.3093 95 E 4.3637 8.3384 121.4472 54.8168 30.6167 174.7122 96 P 4.3985 0.0000 0.0000 62.4510 31.9212 176.0226 97 L 4.5316 8.2893 124.1371 54.1799 43.0539 176.3620 98 R 4.6735 8.3566 124.1577 55.4743 31.2060 174.7526 99 N 4.9798 7.7691 112.8222 52.0643 42.7722 173.7593 100 F 4.4896 8.8435 118.9700 56.8121 40.5092 175.1101 101 V 4.5525 8.7022 124.1659 62.2457 32.3741 174.9646 102 L 4.8492 8.9239 127.8310 52.0769 43.9460 174.8560 103 P 3.7721 0.0000 0.0000 62.1206 31.6619 176.4962 104 G 3.9048 8.7692 110.3631 45.8528 0.0000 172.7723 105 G 3.9976 8.2468 105.5897 44.5197 0.0000 174.7691 106 H 4.1675 9.7164 123.7569 55.9753 31.6449 175.6046 107 I 3.6866 8.2863 126.2667 64.4301 37.7088 178.1069 108 A 4.2286 8.3460 121.1389 54.9442 18.2489 179.3857 109 S 3.9026 7.9484 111.3232 61.7011 62.0851 176.3680 110 S 4.1168 7.9613 117.6265 61.7850 62.4672 176.8228 111 F 4.2676 8.1894 120.1050 60.1108 38.5195 177.9097 112 L 4.0241 8.1913 119.3146 58.1375 41.5152 179.1061 113 H 4.1662 8.3830 116.2146 58.7429 28.4927 177.6569 114 L 4.0246 7.9526 121.9184 57.8375 41.8454 178.7753 115 A 4.0180 8.3384 121.2200 55.1300 18.3459 179.4384 116 R 3.8077 8.3250 117.2064 59.7054 30.1812 178.6266 117 A 4.0790 7.9138 120.2407 55.1712 18.3020 179.7778 118 V 3.6532 8.1900 116.9838 65.8657 31.5754 177.9443 119 C 4.1488 8.7033 119.3798 62.5339 31.5507 175.7755 120 R 4.0714 8.5221 120.1351 59.0837 29.4509 179.1086 121 R 3.8819 7.9725 118.4413 59.3411 30.1146 178.4300 122 A 4.0077 8.4143 121.0813 54.9905 18.1970 179.0463 123 E 3.8881 8.6194 118.3074 59.6509 29.7540 179.3071 124 R 4.0289 7.9057 117.6371 59.5307 30.0437 179.3070 125 S 4.1659 7.9342 114.7489 61.4727 62.5621 176.9212 126 V 3.6469 7.6468 120.3976 65.7406 31.4924 177.9406 127 V 3.7457 8.0408 118.2865 66.2967 30.9514 178.1235 128 T 3.8674 7.8711 115.2995 66.6142 68.3420 176.3256 129 L 4.1472 7.7465 119.7101 56.6301 41.4104 179.0146 130 L 4.1097 7.7618 120.6049 56.9093 42.4499 177.0462 131 K 4.1259 7.3735 118.9975 56.3971 32.7856 176.5400 132 E 3.6373 9.0600 118.3956 56.1786 28.0554 175.0069 133 S 3.7357 7.5646 111.5162 59.5208 61.9097 172.2994 134 K 4.4275 8.6011 116.1445 56.5497 33.0327 176.7090 135 A 4.5817 7.2345 119.5746 50.7996 21.4253 176.5251 136 K 4.1319 8.2435 121.8514 56.0391 33.0036 177.6459 137 E 4.1505 8.5821 123.2299 58.4614 29.5772 179.1944 138 V 3.8337 7.6964 119.0016 64.8497 31.7503 177.9061 139 H 4.1855 7.8770 115.8072 58.8605 28.6265 177.5413 140 A 4.0588 8.0548 121.9812 54.9412 18.2458 179.3980 141 K 3.8885 7.9844 118.1169 59.7480 32.2498 178.2150 142 Y 4.0426 8.3420 119.8282 60.9794 38.7704 178.0837 143 L 4.0274 8.1489 119.7431 57.8152 41.8491 179.1525 144 N 4.4942 8.0520 118.0760 56.4547 39.0049 177.2865 145 R 3.9921 7.9139 119.3745 58.8456 29.9591 178.8483 146 L 3.7933 8.0068 120.9904 58.1233 41.9717 179.1836 147 S 4.1300 8.0158 114.1250 61.6367 62.7531 176.7083 148 S 4.1975 7.6392 117.7966 61.0776 62.5858 176.2990 149 L 3.9648 7.9770 123.1956 58.1892 41.8087 178.9830 150 L 4.0427 8.2606 119.2929 57.6439 41.5906 179.3994 151 F 3.9519 8.0022 120.7902 61.1747 39.3048 177.3740 152 V 3.4556 7.7280 117.8115 66.0344 31.2877 177.9828 153 L 3.6348 8.2361 118.8589 57.5380 41.4859 179.3325 154 A 3.7882 7.8954 120.9059 55.1035 18.1714 179.7188 155 L 3.8187 7.3943 117.1198 57.4568 41.5630 179.9114 156 V 3.4929 7.6582 118.6392 65.7843 31.4640 178.1940 157 V 3.1597 7.7896 118.3502 66.0379 31.2860 177.7385 158 N 4.2763 7.7975 115.7185 56.0816 38.1961 177.3697 159 K 3.9214 8.1798 121.1411 59.6927 32.1363 179.2308 160 R 4.0533 8.2805 117.6663 58.5425 30.0200 178.0470 161 T 4.3894 7.6239 107.2081 60.5456 69.5005 174.0894 162 N 4.1466 7.8829 117.4856 54.9973 36.4050 174.0931 163 N 4.8800 8.3787 116.0771 50.6119 40.0768 173.7475 164 P 4.3700 0.0000 0.0000 62.7126 32.0830 176.1098 165 N 4.6040 8.3831 118.3581 52.9431 39.6017 174.8703 166 V 4.1943 8.1893 121.5097 62.2945 32.9387 174.7073 167 I 5.1621 8.1813 120.5196 58.3816 40.5717 174.9158 168 W 4.2113 8.9896 135.0000 58.9709 31.0930 176.2242 169 R 3.8306 8.3101 125.2257 56.4040 28.8800 175.9793 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 22 K 8.31 4.18 0.00 1.77 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 23 D 7.59 4.64 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.54 4.16 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.39 4.04 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 26 I 8.22 3.79 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.90 0.00 0.00 27 V 7.69 3.62 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 28 K 8.05 3.92 0.00 1.94 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 29 A 7.76 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.27 4.07 0.00 1.82 1.67 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.06 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.15 4.43 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.88 4.01 0.00 1.85 1.68 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.07 4.33 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.31 3.99 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 36 L 8.06 3.96 0.00 1.86 1.91 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.39 4.41 0.00 3.03 2.90 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.16 4.13 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.10 3.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.04 0.00 0.00 40 L 8.27 4.11 0.00 1.94 1.73 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.98 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.62 3.43 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.78 0.00 0.00 43 V 7.86 3.56 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 44 S 8.27 4.14 0.00 3.93 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.00 4.15 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.71 4.38 0.00 1.85 1.86 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.32 4.67 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.66 0.00 2.17 2.26 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 49 E 7.55 4.06 0.00 1.31 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 50 L 8.06 4.80 0.00 1.98 1.70 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.03 4.24 0.00 3.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.14 3.93 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 53 V 7.77 3.68 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.10 0.00 0.00 54 I 8.33 3.77 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.97 0.00 0.00 55 Q 8.68 4.27 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 56 K 7.93 4.12 0.00 2.00 1.93 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.67 7.81 57 L 7.87 4.23 0.00 1.96 1.85 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.36 4.86 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 59 N 8.75 4.45 0.00 2.92 2.92 0.00 0.00 7.02 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.40 4.54 0.00 2.98 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.00 3.66 2.24 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.15 0.93 0.00 0.00 62 F 8.52 4.02 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.37 4.10 0.00 4.13 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.42 3.01 1.66 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.36 0.54 0.00 0.00 65 S 7.72 3.87 0.00 3.71 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.88 3.91 0.00 3.69 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.16 4.10 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 68 I 7.59 3.82 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.34 0.87 0.00 0.00 69 A 7.42 4.48 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.54 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.27 4.38 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.79 4.46 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 N 8.20 4.49 0.00 2.75 2.86 0.00 0.00 6.79 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.88 4.31 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.86 4.64 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.43 4.58 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.73 3.99 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 79 K 8.13 3.91 0.00 1.47 1.71 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.77 0.21 7.81 80 V 7.73 3.74 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.13 0.00 0.00 81 K 7.49 4.45 0.00 2.04 1.87 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.48 7.81 82 G 8.23 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.60 3.82 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.38 0.80 0.00 0.00 84 E 8.32 4.04 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 85 E 8.33 3.94 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 86 L 7.78 4.04 0.00 2.06 1.95 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.44 3.80 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.96 0.00 0.00 88 T 7.82 3.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 89 N 8.25 4.42 0.00 2.51 2.65 0.00 0.00 7.14 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.18 4.23 0.00 3.18 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.24 4.31 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.53 3.98 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.72 7.81 93 E 8.01 4.22 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 94 L 7.27 4.57 0.00 1.72 1.59 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.34 4.36 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 96 P 0.00 4.40 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 97 L 8.29 4.53 0.00 1.61 1.56 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.36 4.67 0.00 1.79 1.86 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 99 N 7.77 4.98 0.00 2.70 2.77 0.00 0.00 7.12 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.84 4.49 0.00 3.22 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.70 4.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.08 0.00 0.00 102 L 8.92 4.85 0.00 1.56 1.59 1.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 3.77 0.00 1.96 1.92 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 104 G 8.77 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 9.72 4.17 0.00 3.19 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.29 3.69 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.43 0.95 0.00 0.00 108 A 8.35 4.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.95 3.90 0.00 3.84 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.96 4.12 0.00 3.89 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.19 4.27 0.00 3.24 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.19 4.02 0.00 1.83 1.77 0.74 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.38 4.17 0.00 3.37 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.95 4.02 0.00 1.86 1.98 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.34 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.32 3.81 0.00 1.93 2.23 0.00 3.38 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 117 A 7.91 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.19 3.65 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.07 0.00 0.00 119 C 8.70 4.15 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.52 4.07 0.00 1.99 1.96 0.00 3.17 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 121 R 7.97 3.88 0.00 1.91 2.07 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 122 A 8.41 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.62 3.89 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 124 R 7.91 4.03 0.00 2.10 1.97 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 125 S 7.93 4.17 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.65 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 127 V 8.04 3.75 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 128 T 7.87 3.87 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 129 L 7.75 4.15 0.00 1.97 1.72 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.76 4.11 0.00 1.66 1.72 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.37 4.13 0.00 1.88 1.67 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 132 E 9.06 3.64 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 133 S 7.56 3.74 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.60 4.43 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.49 7.81 135 A 7.23 4.58 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.24 4.13 0.00 1.21 1.33 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 137 E 8.58 4.15 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 138 V 7.70 3.83 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.21 0.00 0.00 139 H 7.88 4.19 0.00 3.38 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.05 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.98 3.89 0.00 2.03 2.10 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.56 7.81 142 Y 8.34 4.04 0.00 3.48 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.15 4.03 0.00 1.95 1.77 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.05 4.49 0.00 3.00 3.02 0.00 0.00 6.85 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.91 3.99 0.00 1.97 1.86 0.00 3.22 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 146 L 8.01 3.79 0.00 1.38 1.78 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.02 4.13 0.00 4.12 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.64 4.20 0.00 4.18 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.98 3.96 0.00 1.75 1.82 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.26 4.04 0.00 1.88 1.70 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.00 3.95 0.00 3.02 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.73 3.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.08 0.00 0.00 153 L 8.24 3.63 0.00 1.64 1.45 0.76 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.90 3.79 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.39 3.82 0.00 1.65 1.56 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.66 3.49 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 157 V 7.79 3.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.25 0.00 0.00 158 N 7.80 4.28 0.00 2.73 3.02 0.00 0.00 6.72 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.18 3.92 0.00 1.85 1.90 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 160 R 8.28 4.05 0.00 1.83 2.06 0.00 3.33 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 161 T 7.62 4.39 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 162 N 7.88 4.15 0.00 2.87 2.97 0.00 0.00 6.77 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 N 8.38 4.88 0.00 2.73 2.74 0.00 0.00 6.84 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.37 0.00 2.04 2.00 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 165 N 8.38 4.60 0.00 2.72 2.76 0.00 0.00 6.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.19 4.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 167 I 8.18 5.16 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.97 0.00 0.00 168 W 8.99 4.21 0.00 3.33 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 8.31 3.83 0.00 1.05 1.58 0.00 2.64 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 * Residues marked with a * may have inaccurate shift predictions.